SCHEMBL28869306

SCHEMBL28869306

[c]1ccccc1-c1ccc2ccsc2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
DYRK1A Q13627 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
GRM4 Q14833 1/20 0.30
FFAR1 O14842 1/20 0.30
PPARD Q03181 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28603984 0.87 DYRK1A (0.46) DYRK1ACA12CA2
SCHEMBL13742552 0.75 DYRK1A (0.48) SIGMAR1DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL948858 0.74 GSTP1 (0.45) CA2
SCHEMBL13472079 0.74 CA12 (0.45) SIGMAR1DYRK1ACA12CA2FFAR1
SCHEMBL10324351 0.73 ALDH1A1 (0.47)
SCHEMBL16719885 0.73 SIGMAR1 (0.32) SIGMAR1DYRK1AFFAR1PPARD
SCHEMBL21295939 0.73 ESR1 (0.39) CA2
SCHEMBL8589112 0.72 ESR1 (0.50) DYRK1ACA2
SCHEMBL28274290 0.72 DYRK1A (0.40) SIGMAR1DYRK1ACA12CA2FFAR1
SCHEMBL13129272 0.70 DYRK1A (0.39) SIGMAR1DYRK1ASLC6A2SLC6A4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-A Triaizine compounds, its manufacturing method and the organic electroluminescent device as constituent 东曹株式会社 2019-02-05 CN disclosed